3-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(2-methoxy-2-oxo-ethyl)sulfanyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[(2-methoxy-2-oxoethyl)thio]-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(2-methoxy-2-oxoethyl)sulfanyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-3-[(2-keto-2-methoxy-ethyl)thio]-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H18N2O6S2 MolecularWeight: 422.47532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)O

Isomeric SMILES

COC(=O)CSC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)O

InChI

InChI=1S/C18H18N2O6S2/c1-26-13(22)9-27-11-8-28-17-14(16(23)20(17)15(11)18(24)25)19-12(21)7-10-5-3-2-4-6-10/h2-6,14,17H,7-9H2,1H3,(H,19,21)(H,24,25)